SCHEMBL20170848

SCHEMBL20170848

COc1ccc2c3c1O[C@@H]1CCC[C@H]([C@@H](NCC4CC4)C2)[C@]31C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.42
OPRK1 P41145 12/20 0.40
OPRD1 P41143 3/20 0.39
HTR1A P08908 2/20 0.37
HCRTR1 O43613 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20170770 1.00 OPRM1 (0.42) OPRM1OPRK1OPRD1HTR1AHCRTR1
SCHEMBL20170812 0.86 OPRM1 (0.45) OPRM1OPRK1OPRD1
SCHEMBL20170795 0.86 OPRM1 (0.45) OPRM1OPRK1OPRD1
SCHEMBL20170736 0.86 OPRM1 (0.45) OPRM1OPRK1OPRD1
SCHEMBL20170734 0.86 OPRM1 (0.45) OPRM1OPRK1OPRD1
SCHEMBL20170683 0.86 OPRM1 (0.41) OPRM1OPRK1OPRD1HTR1A
SCHEMBL20170729 0.86 OPRM1 (0.41) OPRM1OPRK1OPRD1HTR1A
SCHEMBL20170685 0.86 OPRM1 (0.41) OPRM1OPRK1OPRD1HTR1A
SCHEMBL20170724 0.82 OPRM1 (0.62) OPRM1OPRK1OPRD1
SCHEMBL20170638 0.82 OPRM1 (0.64) OPRM1OPRK1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed